2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide

C17H20BrN — CID 3052880

IUPAC2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide
SMILESBr.CC1Cc2cccc(-c3ccccc3)c2CN1C
InChIInChI=1S/C17H19N.BrH/c1-13-11-15-9-6-10-16(17(15)12-18(13)2)14-7-4-3-5-8-14;/h3-10,13H,11-12H2,1-2H3;1H
InChIKeySOGREIDAKJLDPI-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.31
Rot. Bonds1

About 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide

2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide (PubChem CID 3052880) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide.

Molecular Properties

Compound Name2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide
PubChem CID3052880
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide
SMILESBr.CC1Cc2cccc(-c3ccccc3)c2CN1C
InChIInChI=1S/C17H19N.BrH/c1-13-11-15-9-6-10-16(17(15)12-18(13)2)14-7-4-3-5-8-14;/h3-10,13H,11-12H2,1-2H3;1H
InChIKeySOGREIDAKJLDPI-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide?
The IUPAC name of 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide (CID 3052880) is 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide.
What is the SMILES notation for 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide?
The canonical SMILES for 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide is Br.CC1Cc2cccc(-c3ccccc3)c2CN1C.
What is the InChIKey of 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide?
The InChIKey is SOGREIDAKJLDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N.BrH/c1-13-11-15-9-6-10-16(17(15)12-18(13)2)14-7-4-3-5-8-14;/h3-10,13H,11-12H2,1-2H3;1H.
What are the key properties of 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide?
2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide has a molecular weight of 318.26 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrobromide is sourced from PubChem (CID 3052880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).